# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_kr21
_database_code_depnum_ccdc_archive 'CCDC 2284760'
loop_
_audit_author_name
_audit_author_address
'Vladimir Lazarenko'
;NRC Kurchatov institute
Russia
;
_audit_update_record             
;
2023-07-26 deposited with the CCDC.	2024-04-01 downloaded from the CCDC.
;
_audit_creation_date             2023-07-26
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C84 H120 Mn3 N6 O12'
_chemical_formula_sum            'C84 H120 Mn3 N6 O12'
_chemical_formula_weight         1570.67
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0027 0.0018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3081 0.8121 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0051 0.0037 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0094 0.0069 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_H-M_alt        'R -3 c'
_space_group_name_Hall           '-R 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   16.670(2)
_cell_length_b                   16.670(2)
_cell_length_c                   53.676(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     12918(5)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    1171
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.991
_cell_measurement_theta_min      2.194
_shelx_estimated_absorpt_T_max   0.989
_shelx_estimated_absorpt_T_min   0.972
_exptl_absorpt_coefficient_mu    0.572
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.670
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'XDS, Kabsh 2010'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.211
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5022
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1287
_diffrn_reflns_av_unetI/netI     0.0683
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       70
_diffrn_reflns_limit_l_min       -73
_diffrn_reflns_number            26025
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        26.848
_diffrn_reflns_theta_max         30.991
_diffrn_reflns_theta_min         2.194
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rayonix CCD 165'
_diffrn_measurement_method       'φ scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7527
_diffrn_source                   synchrotron
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2153
_reflns_number_total             3845
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.363
_refine_diff_density_min         -0.343
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       0.00060(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     166
_refine_ls_number_reflns         3845
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1212
_refine_ls_R_factor_gt           0.0601
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0573P)²+24.8523P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1312
_refine_ls_wR_factor_ref         0.1586
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C9(H9)
2.b Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C12(H12A,H12B,H12C), C6(H6A,H6B,
 H6C), C8(H8A,H8B,H8C), C7(H7A,H7B,H7C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn2 Mn 0.666667 0.333333 0.583333 0.0361(3) Uani 1 6 d S T P . .
Mn1 Mn 0.666667 0.333333 0.51598(2) 0.0366(2) Uani 1 3 d S T P . .
O2 O 0.55180(15) 0.25252(15) 0.55926(4) 0.0403(5) Uani 1 1 d . . . . .
O1 O 0.58864(15) 0.36004(15) 0.49474(4) 0.0387(5) Uani 1 1 d . . . . .
N1 N 0.55816(17) 0.28046(17) 0.53641(4) 0.0360(5) Uani 1 1 d . . . . .
C2 C 0.4834(2) 0.2808(2) 0.52626(5) 0.0345(6) Uani 1 1 d . . . . .
C3 C 0.3972(2) 0.2471(2) 0.53831(5) 0.0362(7) Uani 1 1 d . . . . .
H3 H 0.387235 0.220246 0.554441 0.043 Uiso 1 1 calc R U . . .
C1 C 0.5040(2) 0.3247(2) 0.50272(5) 0.0347(6) Uani 1 1 d . . . . .
C4 C 0.3288(2) 0.2537(2) 0.52644(5) 0.0354(6) Uani 1 1 d . . . . .
C9 C 0.3483(2) 0.2938(2) 0.50182(5) 0.0375(7) Uani 1 1 d . . . . .
H9 H 0.299086 0.295009 0.493243 0.045 Uiso 1 1 calc R U . . .
C5 C 0.2335(2) 0.2181(2) 0.53796(6) 0.0408(7) Uani 1 1 d . . . . .
C10 C 0.4319(2) 0.3305(2) 0.48971(5) 0.0363(7) Uani 1 1 d . . . . .
C11 C 0.4504(2) 0.3758(2) 0.46389(5) 0.0403(7) Uani 1 1 d . . . . .
C13 C 0.5264(3) 0.4774(2) 0.46570(6) 0.0474(8) Uani 1 1 d . . . . .
H13A H 0.506171 0.510356 0.476900 0.071 Uiso 1 1 calc R U . . .
H13B H 0.538552 0.505767 0.449126 0.071 Uiso 1 1 calc R U . . .
H13C H 0.583062 0.481287 0.472254 0.071 Uiso 1 1 calc R U . . .
C14 C 0.4808(3) 0.3243(2) 0.44578(6) 0.0506(9) Uani 1 1 d . . . . .
H14A H 0.537449 0.327290 0.452024 0.076 Uiso 1 1 calc R U . . .
H14B H 0.492642 0.353489 0.429312 0.076 Uiso 1 1 calc R U . . .
H14C H 0.431609 0.259419 0.444473 0.076 Uiso 1 1 calc R U . . .
C12 C 0.3632(3) 0.3729(3) 0.45333(6) 0.0555(10) Uani 1 1 d . . . . .
H12A H 0.313400 0.308390 0.451786 0.083 Uiso 1 1 calc R U . . .
H12B H 0.377090 0.402477 0.436893 0.083 Uiso 1 1 calc R U . . .
H12C H 0.343482 0.406131 0.464584 0.083 Uiso 1 1 calc R U . . .
C6 C 0.1648(3) 0.1265(3) 0.52529(7) 0.0542(9) Uani 1 1 d . . . . .
H6A H 0.164275 0.136496 0.507315 0.081 Uiso 1 1 calc R U . . .
H6B H 0.102653 0.104255 0.532095 0.081 Uiso 1 1 calc R U . . .
H6C H 0.183685 0.080364 0.528377 0.081 Uiso 1 1 calc R U . . .
C8 C 0.2014(3) 0.2888(3) 0.53447(7) 0.0560(9) Uani 1 1 d . . . . .
H8A H 0.246983 0.348011 0.541886 0.084 Uiso 1 1 calc R U . . .
H8B H 0.141340 0.266211 0.542652 0.084 Uiso 1 1 calc R U . . .
H8C H 0.195381 0.297374 0.516652 0.084 Uiso 1 1 calc R U . . .
C7 C 0.2332(3) 0.1990(3) 0.56571(7) 0.0581(10) Uani 1 1 d . . . . .
H7A H 0.252001 0.152516 0.568265 0.087 Uiso 1 1 calc R U . . .
H7B H 0.170782 0.175860 0.572415 0.087 Uiso 1 1 calc R U . . .
H7C H 0.276726 0.256419 0.574302 0.087 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn2 O2 2.138(2) . ?
Mn2 O2 2.138(2) 16_545 ?
Mn2 O2 2.138(2) 17 ?
Mn2 O2 2.138(2) 2_655 ?
Mn2 O2 2.138(2) 3_665 ?
Mn2 O2 2.138(2) 18_655 ?
Mn1 O1 1.941(2) 3_665 ?
Mn1 O1 1.941(2) 2_655 ?
Mn1 O1 1.941(2) . ?
Mn1 N1 1.912(2) 3_665 ?
Mn1 N1 1.912(2) 2_655 ?
Mn1 N1 1.912(2) . ?
O2 N1 1.298(3) . ?
O1 C1 1.300(4) . ?
N1 C2 1.362(4) . ?
C2 C3 1.411(4) . ?
C2 C1 1.414(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.358(4) . ?
C1 C10 1.434(4) . ?
C4 C9 1.443(4) . ?
C4 C5 1.522(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.373(4) . ?
C5 C6 1.535(5) . ?
C5 C8 1.530(5) . ?
C5 C7 1.522(5) . ?
C10 C11 1.535(4) . ?
C11 C13 1.529(5) . ?
C11 C14 1.541(5) . ?
C11 C12 1.538(5) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Mn2 O2 87.26(8) . 2_655 ?
O2 Mn2 O2 158.99(12) 3_665 16_545 ?
O2 Mn2 O2 87.27(8) 17 18_655 ?
O2 Mn2 O2 87.26(8) . 3_665 ?
O2 Mn2 O2 158.98(12) . 18_655 ?
O2 Mn2 O2 87.26(8) 2_655 3_665 ?
O2 Mn2 O2 109.02(12) 2_655 16_545 ?
O2 Mn2 O2 109.03(12) . 17 ?
O2 Mn2 O2 87.27(8) 17 16_545 ?
O2 Mn2 O2 158.99(12) 2_655 17 ?
O2 Mn2 O2 80.56(11) 2_655 18_655 ?
O2 Mn2 O2 80.57(11) 3_665 17 ?
O2 Mn2 O2 87.26(8) 16_545 18_655 ?
O2 Mn2 O2 80.56(11) . 16_545 ?
O2 Mn2 O2 109.03(12) 3_665 18_655 ?
O1 Mn1 O1 89.02(9) 3_665 . ?
O1 Mn1 O1 89.03(9) 2_655 3_665 ?
O1 Mn1 O1 89.02(9) 2_655 . ?
N1 Mn1 O1 100.57(10) 2_655 3_665 ?
N1 Mn1 O1 100.57(10) 3_665 . ?
N1 Mn1 O1 166.43(10) 3_665 2_655 ?
N1 Mn1 O1 81.64(9) . . ?
N1 Mn1 O1 100.57(10) . 2_655 ?
N1 Mn1 O1 81.63(9) 2_655 2_655 ?
N1 Mn1 O1 81.63(9) 3_665 3_665 ?
N1 Mn1 O1 166.43(10) . 3_665 ?
N1 Mn1 O1 166.43(10) 2_655 . ?
N1 Mn1 N1 90.39(10) 3_665 . ?
N1 Mn1 N1 90.39(10) 2_655 . ?
N1 Mn1 N1 90.39(10) 2_655 3_665 ?
N1 O2 Mn2 117.28(17) . . ?
C1 O1 Mn1 113.72(18) . . ?
O2 N1 Mn1 126.60(19) . . ?
O2 N1 C2 117.9(2) . . ?
C2 N1 Mn1 115.16(19) . . ?
N1 C2 C3 124.5(3) . . ?
N1 C2 C1 111.9(3) . . ?
C3 C2 C1 123.4(3) . . ?
C2 C3 H3 120.6 . . ?
C4 C3 C2 118.8(3) . . ?
C4 C3 H3 120.6 . . ?
O1 C1 C2 117.2(3) . . ?
O1 C1 C10 124.4(3) . . ?
C2 C1 C10 118.4(3) . . ?
C3 C4 C9 117.6(3) . . ?
C3 C4 C5 122.2(3) . . ?
C9 C4 C5 120.2(3) . . ?
C4 C9 H9 117.2 . . ?
C10 C9 C4 125.7(3) . . ?
C10 C9 H9 117.2 . . ?
C4 C5 C6 108.8(3) . . ?
C4 C5 C8 110.4(3) . . ?
C4 C5 C7 111.9(3) . . ?
C8 C5 C6 109.7(3) . . ?
C7 C5 C6 107.7(3) . . ?
C7 C5 C8 108.4(3) . . ?
C1 C10 C11 120.3(3) . . ?
C9 C10 C1 115.9(3) . . ?
C9 C10 C11 123.7(3) . . ?
C10 C11 C14 109.6(3) . . ?
C10 C11 C12 111.3(3) . . ?
C13 C11 C10 109.8(3) . . ?
C13 C11 C14 109.7(3) . . ?
C13 C11 C12 107.7(3) . . ?
C12 C11 C14 108.6(3) . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Mn2 O2 N1 Mn1 38.3(3) . . . . ?
Mn2 O2 N1 C2 -135.2(2) . . . . ?
Mn1 O1 C1 C2 5.8(3) . . . . ?
Mn1 O1 C1 C10 -176.6(2) . . . . ?
Mn1 N1 C2 C3 -178.6(2) . . . . ?
Mn1 N1 C2 C1 -2.6(3) . . . . ?
O2 N1 C2 C3 -4.4(4) . . . . ?
O2 N1 C2 C1 171.7(2) . . . . ?
O1 C1 C10 C9 -176.1(3) . . . . ?
O1 C1 C10 C11 3.6(5) . . . . ?
N1 C2 C3 C4 178.2(3) . . . . ?
N1 C2 C1 O1 -2.2(4) . . . . ?
N1 C2 C1 C10 -180.0(3) . . . . ?
C2 C3 C4 C9 1.0(4) . . . . ?
C2 C3 C4 C5 179.3(3) . . . . ?
C2 C1 C10 C9 1.4(4) . . . . ?
C2 C1 C10 C11 -178.8(3) . . . . ?
C3 C2 C1 O1 173.9(3) . . . . ?
C3 C2 C1 C10 -3.9(4) . . . . ?
C3 C4 C9 C10 -3.5(5) . . . . ?
C3 C4 C5 C6 -104.1(3) . . . . ?
C3 C4 C5 C8 135.5(3) . . . . ?
C3 C4 C5 C7 14.7(4) . . . . ?
C1 C2 C3 C4 2.6(5) . . . . ?
C1 C10 C11 C13 -61.6(4) . . . . ?
C1 C10 C11 C14 58.9(4) . . . . ?
C1 C10 C11 C12 179.1(3) . . . . ?
C4 C9 C10 C1 2.2(5) . . . . ?
C4 C9 C10 C11 -177.6(3) . . . . ?
C9 C4 C5 C6 74.2(4) . . . . ?
C9 C4 C5 C8 -46.3(4) . . . . ?
C9 C4 C5 C7 -167.1(3) . . . . ?
C9 C10 C11 C13 118.1(3) . . . . ?
C9 C10 C11 C14 -121.4(3) . . . . ?
C9 C10 C11 C12 -1.1(4) . . . . ?
C5 C4 C9 C10 178.2(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
